UCSF

ZINC14248134

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 14 No

Other Names:

MFCD03147255

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 1.76 -4.72 3 4 0 71 230.054 0
Ref Reference (pH 7) 2.01 1.69 -32.77 4 4 1 69 231.062 1
Hi High (pH 8-9.5) 2.64 -0.37 -44.22 2 4 -1 74 229.046 0
Hi High (pH 8-9.5) 2.64 -0.12 -37.89 2 4 -1 74 229.046 0

Vendor Notes

Note Type Comments Provided By
MP 261 - 263 Enamine Building Blocks
MP 261...263 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.